Geometry & MOs

Info

ID:	305387
PubChem CID:	124807074
Reduced:	ClNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	359.128821
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	2.79
IP(EA), eV:	-9.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2S,5'S,6'R)-6-chloro-N-cyclopentyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@H]2[C@@H]3[C@H]2[C@]4(CC3)CC(=O)C5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations